pentyl 2-azanyl-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-azanyl-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-amino-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-hexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-amino-1-hexylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCCCC)N

Isomeric SMILES

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCCCC)N

InChI

InChI=1S/C22H30N4O2/c1-3-5-7-10-14-26-20(23)18(22(27)28-15-11-6-4-2)19-21(26)25-17-13-9-8-12-16(17)24-19/h8-9,12-13H,3-7,10-11,14-15,23H2,1-2H3